2.0 2012-07-30 14:55:00 -0600 2015-06-03 17:20:56 -0600 ECMDB21226 M2MDB001634 Hexadecanoyl-phosphate (n-C16:0) Hexadecanoyl-phosphate (n-c16:0) belongs to the class of Acyl Phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH. (inferred from compound structure) Hexadecanoyl-phosphoric acid (N-C16:0) C16H31O5P 334.3881 334.190910614 (hexadecanoyloxy)phosphonate hexadecanoyloxyphosphonate CCCCCCCCCCCCCCCC(=O)OP([O-])([O-])=O InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)/p-2 KUIJPSLAGAQZTC-UHFFFAOYSA-L Cytosol Membrane logp 5.71 ALOGPS logs -5.13 ALOGPS solubility 2.72e-03 g/l ALOGPS logp 5.6 ChemAxon pka_strongest_acidic 1.23 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (hexadecanoyloxy)phosphonate ChemAxon average_mass 334.3881 ChemAxon mono_mass 334.190910614 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OP([O-])([O-])=O ChemAxon formula C16H31O5P ChemAxon inchi InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)/p-2 ChemAxon inchikey KUIJPSLAGAQZTC-UHFFFAOYSA-L ChemAxon polar_surface_area 89.49 ChemAxon refractivity 86 ChemAxon polarizability 38.38 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::NmrOneD 323692 Specdb::NmrOneD 323693 Specdb::NmrOneD 323694 Specdb::NmrOneD 323695 Specdb::NmrOneD 323696 Specdb::NmrOneD 323697 Specdb::NmrOneD 323698 Specdb::NmrOneD 323699 Specdb::NmrOneD 323700 Specdb::NmrOneD 323701 Specdb::NmrOneD 323702 Specdb::NmrOneD 323703 Specdb::NmrOneD 323704 Specdb::NmrOneD 323705 Specdb::NmrOneD 323706 Specdb::NmrOneD 323707 Specdb::NmrOneD 323708 Specdb::NmrOneD 323709 Specdb::NmrOneD 323710 Specdb::NmrOneD 323711 Specdb::MsMs 29183 Specdb::MsMs 29184 Specdb::MsMs 29185 Specdb::MsMs 35741 Specdb::MsMs 35742 Specdb::MsMs 35743 Acylphosphatase P0AB65 ACYP_ECOLI yccX http://ecmdb.ca/proteins/P0AB65.xml Phosphate acyltransferase P27247 PLSX_ECOLI plsX http://ecmdb.ca/proteins/P27247.xml Probable glycerol-3-phosphate acyltransferase P60782 PLSY_ECOLI plsY http://ecmdb.ca/proteins/P60782.xml Acyl carrier protein P0A6A8 ACP_ECOLI acpP http://ecmdb.ca/proteins/P0A6A8.xml Hydrogen ion + Palmitoyl-ACP (n-C16:0ACP) + Phosphate > acyl carrier protein + Hexadecanoyl-phosphate (n-C16:0) Water + Hexadecanoyl-phosphate (n-C16:0) >2 Hydrogen ion + Palmitic acid + Phosphate Glycerol 3-phosphate + Hexadecanoyl-phosphate (n-C16:0) > 1-hexadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate